2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide

C15H16ClNO3S — CID 7509950

IUPAC2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1ccc(OCCNS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNO3S/c1-12-6-8-13(9-7-12)20-11-10-17-21(18,19)15-5-3-2-4-14(15)16/h2-9,17H,10-11H2,1H3
InChIKeyKWTOXZCIBCMRJG-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.01
Rot. Bonds6

About 2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide

2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide (PubChem CID 7509950) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
PubChem CID7509950
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1ccc(OCCNS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNO3S/c1-12-6-8-13(9-7-12)20-11-10-17-21(18,19)15-5-3-2-4-14(15)16/h2-9,17H,10-11H2,1H3
InChIKeyKWTOXZCIBCMRJG-UHFFFAOYSA-N
XLogP3.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide
CID 30171874
2-chloro-N-[3-(3-methylphenoxy)propyl]benzenesulfonamide
CID 46644070
2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide
CID 17475981
2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 27509470
N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide
CID 39364398
2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid
CID 110504575
N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide
CID 47108527
N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2998241
4-methyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 26543228
N-[2-(4-bromophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113099742
2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 3685302
N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 30867090

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide (CID 7509950) is 2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide is Cc1ccc(OCCNS(=O)(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is KWTOXZCIBCMRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-12-6-8-13(9-7-12)20-11-10-17-21(18,19)15-5-3-2-4-14(15)16/h2-9,17H,10-11H2,1H3.
What are the key properties of 2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide?
2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 7509950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).